| CAS Number | 912544-46-8 |
| Catalog Number | AG00H4SD |
| Chemical Name | 2-Chloro-4-(morpholine-4-carbonyl)phenol |
| IUPAC Name | (3-chloro-4-hydroxyphenyl)-morpholin-4-ylmethanone |
| InChI | InChI=1S/C11H12ClNO3/c12-9-7-8(1-2-10(9)14)11(15)13-3-5-16-6-4-13/h1-2,7,14H,3-6H2 |
| InChI Key | GKHBIPJJYHKVCQ-UHFFFAOYSA-N |
| MDL Number | MFCD26401016 |
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.6709 |
| SMILES | OC1=C(Cl)C=C(C(N2CCOCC2)=O)C=C1 |
| Synonyms | 2-chloro-4-(morpholine-4-carbonyl)phenol,
912544-46-8,
SCHEMBL487574,
ZINC19836989,
AKOS000207779,
MCULE-4566429748,
NE53310,
2-(3-chloro-4-hydroxyphenyl)morpholine-4-carbaldehyde,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.671g/mol |
| Monoisotopic Mass | 241.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number